Geometry & MOs

Info

ID:	34296
PubChem CID:	7890655
Reduced:	N2O7H16C18 (1)
Stoich.:	A2B7C16D18 (1)
Weight, g/mol:	398.151158
ΔH_f, kcal/mol:	-239.59
Dipole, Da:	3.18
IP(EA), eV:	-8.48(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2R)-1-[[(1R,2R)-2-methylcyclohexyl]amino]-1-oxopropan-2-yl] 2-methoxy-5-sulfamoylbenzoate

Drug info:

PubChemData

Smile

C1COC2=C(O1)C=CC(=C2)NC(=O)NC(=O)COC(=O)C3=CC=CC=C3O

DOS

IR

Vibrations